6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline

C13H16N2 — CID 10241903

IUPAC6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
SMILESc1ccc2c(c1)CN1CCCCCC1=N2
InChIInChI=1S/C13H16N2/c1-2-8-13-14-12-7-4-3-6-11(12)10-15(13)9-5-1/h3-4,6-7H,1-2,5,8-10H2
InChIKeySQXQVLHHMMAJIL-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.11
Rot. Bonds

About 6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline

6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline (PubChem CID 10241903) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline.

Molecular Properties

Compound Name6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
PubChem CID10241903
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
SMILESc1ccc2c(c1)CN1CCCCCC1=N2
InChIInChI=1S/C13H16N2/c1-2-8-13-14-12-7-4-3-6-11(12)10-15(13)9-5-1/h3-4,6-7H,1-2,5,8-10H2
InChIKeySQXQVLHHMMAJIL-UHFFFAOYSA-N
XLogP3.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The IUPAC name of 6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline (CID 10241903) is 6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline.
What is the SMILES notation for 6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The canonical SMILES for 6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline is c1ccc2c(c1)CN1CCCCCC1=N2.
What is the InChIKey of 6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The InChIKey is SQXQVLHHMMAJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-8-13-14-12-7-4-3-6-11(12)10-15(13)9-5-1/h3-4,6-7H,1-2,5,8-10H2.
What are the key properties of 6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline has a molecular weight of 200.29 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline is sourced from PubChem (CID 10241903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).